9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene

C52H34 — CID 21043381

IUPAC9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H34/c1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h1-34H
InChIKeyOEYLQYLOSLLBTR-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene

9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 21043381) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
PubChem CID21043381
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C52H34/c1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h1-34H
InChIKeyOEYLQYLOSLLBTR-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
The IUPAC name of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene (CID 21043381) is 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene.
What is the SMILES notation for 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
The canonical SMILES for 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
The InChIKey is OEYLQYLOSLLBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h1-34H.
What are the key properties of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 21043381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).